4LQ
Summary
| Name: | 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide |
| Formula: | C25 H32 N4 O |
| Formal charge: | 0 |
| Formula weight: | 404.548 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.9.2 | 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H32N4O/c1-2-29-23(16-15-19-9-4-3-5-10-19)27-28-24(29)17-18-25(30)26-22-14-8-12-20-11-6-7-13-21(20)22/h6-8,11-14,19H,2-5,9-10,15-18H2,1H3,(H,26,30) |
| InChIKey | InChI | 1.03 | SZWIGRNIVUKPOZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c(CCC2CCCCC2)nnc1CCC(=O)Nc3cccc4ccccc34 |
| SMILES | CACTVS | 3.385 | CCn1c(CCC2CCCCC2)nnc1CCC(=O)Nc3cccc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCn1c(nnc1CCC(=O)Nc2cccc3c2cccc3)CCC4CCCCC4 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCn1c(nnc1CCC(=O)Nc2cccc3c2cccc3)CCC4CCCCC4 |
